SCHEMBL6846732

SCHEMBL6846732

O=[N+]([O-])c1cc(Cl)ccc1NCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.53
TP53 P04637 2/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
HTR1A P08908 3/20 0.49
HTR2A P28223 3/20 0.49
DRD1 P21728 2/20 0.49
DRD5 P21918 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CACNA1G O43497 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6839410 0.86 RAB9A (0.73) MAPTPOLBPKMRAB9ALMNA
SCHEMBL11711465 0.84 MAPT (0.59) MAPTPOLBPKMRAB9ALMNA
SCHEMBL28954641 0.83 MAPT (0.77) MAPTPOLBPKMRAB9ALMNA
SCHEMBL6843584 0.82 DRD2 (0.54) MAPTTP53LMNASMN1; SMN2DRD2
SCHEMBL2489051 0.75 HRH3 (0.70) MEN1KMT2A
SCHEMBL4747687 0.74 HRH3 (0.55) MAPTPOLBPKMRAB9ALMNA
SCHEMBL28689384 0.74 MAPT (0.67) MAPTPOLBPKMRAB9ALMNA
SCHEMBL2487709 0.73 HRH3 (0.64) MEN1KMT2A
SCHEMBL7131184 0.73 MAPK1 (0.64) MAPTLMNAMAPK1SMN1; SMN2MEN1
SCHEMBL23092834 0.72 MAPT (0.64) MAPTPOLBPKMLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US disclosed
US-6548502-B2 Preventing disorder selected from pathological gambling, attention deficit disorder with hyperactivity disorder, substance addiction such as drug and alcohol and sex in a mammals by administering pyrido(1,2-a) pyrazine derivatives PFIZER INC 2003-04-15 US disclosed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 MAPT 1380/4885POLB 4125/4885PKM 4105/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 MAPT 1380/4885POLB 4125/4885PKM 4105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.